N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide

C15H27N5O2S — CID 121075385

IUPACN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCNc1nc(C)cc(N2CCCCC2)n1
InChIInChI=1S/C15H27N5O2S/c1-3-11-23(21,22)17-8-7-16-15-18-13(2)12-14(19-15)20-9-5-4-6-10-20/h12,17H,3-11H2,1-2H3,(H,16,18,19)
InChIKeyRNIAJXDRXITPCM-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.52
Rot. Bonds8

About N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide

N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide (PubChem CID 121075385) has the molecular formula C15H27N5O2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide
PubChem CID121075385
Molecular FormulaC15H27N5O2S
Molecular Weight341.48 g/mol
Exact Mass341.19
IUPAC NameN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCNc1nc(C)cc(N2CCCCC2)n1
InChIInChI=1S/C15H27N5O2S/c1-3-11-23(21,22)17-8-7-16-15-18-13(2)12-14(19-15)20-9-5-4-6-10-20/h12,17H,3-11H2,1-2H3,(H,16,18,19)
InChIKeyRNIAJXDRXITPCM-UHFFFAOYSA-N
XLogP1.52
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylsulfamoylamino)ethylamino]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 121075493
1-(4-methylphenyl)-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]methanesulfonamide
CID 122295053
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]butane-1-sulfonamide
CID 121075534
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide
CID 121075524
1-(3-methylphenyl)-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]methanesulfonamide
CID 122295030
2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075374
1-(2-fluorophenyl)-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]methanesulfonamide
CID 122295051
1,2-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122294548
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]butanamide
CID 56700364
2-methoxy-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 122295080
2-methoxy-5-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075469
5-chloro-2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 122294543

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide (CID 121075385) is N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCNc1nc(C)cc(N2CCCCC2)n1.
What is the InChIKey of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide?
The InChIKey is RNIAJXDRXITPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2S/c1-3-11-23(21,22)17-8-7-16-15-18-13(2)12-14(19-15)20-9-5-4-6-10-20/h12,17H,3-11H2,1-2H3,(H,16,18,19).
What are the key properties of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide?
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 121075385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).